General Information of the Compound
| Compound ID |
CP0377296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(furan-3-ylmethyl)-N-methyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N6O
|
||||||||||||||||||
| Molecular Weight |
418.545
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccoc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N6O/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAATWOPTMOLWLQ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D